DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:11:42 UTC
Update Date	2025-03-21 18:32:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00090021
Frequency	31.3
Structure
Chemical Formula	C₁₂H₁₉N₄O₁₀P
Molecular Mass	410.0839
SMILES	Nc1ccn(C2OC(COP(=O)(O)OCC(N)C(=O)O)C(O)C2O)c(=O)n1
InChI Key	CPFXLJMRAYPSRA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleotides
Subclass	pyrimidine ribonucleotides
Direct Parent	pyrimidine ribonucleoside monophosphates
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,2-diols alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkyl phosphates heteroaromatic compounds hydrocarbon derivatives imidolactams monoalkylamines monocarboxylic acids and derivatives monosaccharides organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates phosphoethanolamines pyrimidones secondary alcohols tetrahydrofurans
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound pentose phosphate amino acid or derivatives amino acid monosaccharide pentose-5-phosphate pyrimidone alpha-amino acid or derivatives carboxylic acid derivative pyrimidine phosphoethanolamine saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound imidolactam organoheterocyclic compound 1,2-diol alcohol carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound oxacycle dialkyl phosphate pyrimidine ribonucleoside monophosphate monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester secondary alcohol hydrocarbon derivative primary aliphatic amine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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